USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 479 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 43 HIS HD1 : A 43 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -59:sc= 0.405 USER MOD Single : A 14 ASN : amide:sc= 0.0918 K(o=0.092,f=-3!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 23 GLN : amide:sc= -0.0295 K(o=-0.03,f=-2.1!) USER MOD Single : A 25 SER OG : rot 79:sc= 0.033 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -174:sc= -3.18! (180deg=-3.27!) USER MOD Single : A 34 ASN : amide:sc= -0.225 X(o=-0.23,f=-0.11) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -58:sc= 0.522 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -89:sc= 1.19 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 28:sc= 0.373 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -55:sc= 0.0374 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.297 18.642 4.662 1.00 0.00 N ATOM 2 CA GLY A 1 31.004 19.154 4.244 1.00 0.00 C ATOM 3 C GLY A 1 30.074 19.405 5.414 1.00 0.00 C ATOM 4 O GLY A 1 29.915 18.548 6.284 1.00 0.00 O ATOM 0 H1 GLY A 1 32.896 18.487 3.826 1.00 0.00 H new ATOM 0 H2 GLY A 1 32.755 19.330 5.293 1.00 0.00 H new ATOM 0 H3 GLY A 1 32.167 17.742 5.167 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.146 20.083 3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.539 18.444 3.560 1.00 0.00 H new ATOM 8 N SER A 2 29.458 20.582 5.437 1.00 0.00 N ATOM 9 CA SER A 2 28.543 20.946 6.512 1.00 0.00 C ATOM 10 C SER A 2 27.104 20.994 6.007 1.00 0.00 C ATOM 11 O SER A 2 26.853 21.313 4.845 1.00 0.00 O ATOM 12 CB SER A 2 28.933 22.301 7.106 1.00 0.00 C ATOM 13 OG SER A 2 30.113 22.196 7.884 1.00 0.00 O ATOM 0 H SER A 2 29.576 21.301 4.723 1.00 0.00 H new ATOM 0 HA SER A 2 28.612 20.184 7.288 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.086 23.023 6.304 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.118 22.679 7.724 1.00 0.00 H new ATOM 0 HG SER A 2 30.342 23.075 8.251 1.00 0.00 H new ATOM 19 N SER A 3 26.163 20.675 6.890 1.00 0.00 N ATOM 20 CA SER A 3 24.749 20.678 6.535 1.00 0.00 C ATOM 21 C SER A 3 23.948 21.549 7.499 1.00 0.00 C ATOM 22 O SER A 3 24.345 21.752 8.645 1.00 0.00 O ATOM 23 CB SER A 3 24.197 19.251 6.540 1.00 0.00 C ATOM 24 OG SER A 3 24.761 18.482 5.492 1.00 0.00 O ATOM 0 H SER A 3 26.355 20.411 7.856 1.00 0.00 H new ATOM 0 HA SER A 3 24.653 21.094 5.532 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.412 18.778 7.498 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.113 19.277 6.433 1.00 0.00 H new ATOM 0 HG SER A 3 24.393 17.574 5.518 1.00 0.00 H new ATOM 30 N GLY A 4 22.817 22.061 7.023 1.00 0.00 N ATOM 31 CA GLY A 4 21.978 22.904 7.854 1.00 0.00 C ATOM 32 C GLY A 4 20.669 22.234 8.225 1.00 0.00 C ATOM 33 O GLY A 4 20.568 21.008 8.218 1.00 0.00 O ATOM 0 H GLY A 4 22.467 21.907 6.077 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.519 23.166 8.763 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.769 23.835 7.328 1.00 0.00 H new ATOM 37 N SER A 5 19.665 23.041 8.550 1.00 0.00 N ATOM 38 CA SER A 5 18.357 22.519 8.930 1.00 0.00 C ATOM 39 C SER A 5 17.254 23.148 8.085 1.00 0.00 C ATOM 40 O SER A 5 16.195 23.511 8.597 1.00 0.00 O ATOM 41 CB SER A 5 18.091 22.783 10.414 1.00 0.00 C ATOM 42 OG SER A 5 18.259 24.155 10.727 1.00 0.00 O ATOM 0 H SER A 5 19.732 24.059 8.558 1.00 0.00 H new ATOM 0 HA SER A 5 18.357 21.443 8.753 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.077 22.471 10.666 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.769 22.183 11.020 1.00 0.00 H new ATOM 0 HG SER A 5 18.082 24.297 11.680 1.00 0.00 H new ATOM 48 N SER A 6 17.511 23.275 6.787 1.00 0.00 N ATOM 49 CA SER A 6 16.543 23.864 5.870 1.00 0.00 C ATOM 50 C SER A 6 15.679 22.784 5.225 1.00 0.00 C ATOM 51 O SER A 6 15.406 22.825 4.026 1.00 0.00 O ATOM 52 CB SER A 6 17.260 24.673 4.787 1.00 0.00 C ATOM 53 OG SER A 6 16.336 25.411 4.006 1.00 0.00 O ATOM 0 H SER A 6 18.382 22.978 6.347 1.00 0.00 H new ATOM 0 HA SER A 6 15.896 24.529 6.442 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.975 25.353 5.250 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.830 24.002 4.144 1.00 0.00 H new ATOM 0 HG SER A 6 15.701 24.796 3.583 1.00 0.00 H new ATOM 59 N GLY A 7 15.252 21.816 6.031 1.00 0.00 N ATOM 60 CA GLY A 7 14.424 20.738 5.523 1.00 0.00 C ATOM 61 C GLY A 7 13.179 21.245 4.821 1.00 0.00 C ATOM 62 O GLY A 7 12.269 21.770 5.462 1.00 0.00 O ATOM 0 H GLY A 7 15.465 21.760 7.027 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.007 20.132 4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.133 20.088 6.348 1.00 0.00 H new ATOM 66 N GLU A 8 13.140 21.088 3.502 1.00 0.00 N ATOM 67 CA GLU A 8 11.998 21.536 2.714 1.00 0.00 C ATOM 68 C GLU A 8 10.978 20.413 2.547 1.00 0.00 C ATOM 69 O GLU A 8 11.341 19.245 2.408 1.00 0.00 O ATOM 70 CB GLU A 8 12.460 22.028 1.340 1.00 0.00 C ATOM 71 CG GLU A 8 11.334 22.579 0.481 1.00 0.00 C ATOM 72 CD GLU A 8 10.956 23.999 0.855 1.00 0.00 C ATOM 73 OE1 GLU A 8 11.870 24.796 1.157 1.00 0.00 O ATOM 74 OE2 GLU A 8 9.748 24.314 0.846 1.00 0.00 O ATOM 0 H GLU A 8 13.885 20.654 2.957 1.00 0.00 H new ATOM 0 HA GLU A 8 11.522 22.360 3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.215 22.803 1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.940 21.205 0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.634 22.551 -0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.459 21.936 0.579 1.00 0.00 H new ATOM 81 N PHE A 9 9.700 20.777 2.563 1.00 0.00 N ATOM 82 CA PHE A 9 8.626 19.801 2.415 1.00 0.00 C ATOM 83 C PHE A 9 8.703 18.738 3.507 1.00 0.00 C ATOM 84 O PHE A 9 8.535 17.548 3.242 1.00 0.00 O ATOM 85 CB PHE A 9 8.695 19.139 1.037 1.00 0.00 C ATOM 86 CG PHE A 9 7.603 18.136 0.798 1.00 0.00 C ATOM 87 CD1 PHE A 9 6.284 18.544 0.677 1.00 0.00 C ATOM 88 CD2 PHE A 9 7.896 16.786 0.695 1.00 0.00 C ATOM 89 CE1 PHE A 9 5.278 17.622 0.459 1.00 0.00 C ATOM 90 CE2 PHE A 9 6.893 15.860 0.475 1.00 0.00 C ATOM 91 CZ PHE A 9 5.583 16.279 0.356 1.00 0.00 C ATOM 0 H PHE A 9 9.383 21.740 2.677 1.00 0.00 H new ATOM 0 HA PHE A 9 7.676 20.327 2.510 1.00 0.00 H new ATOM 0 HB2 PHE A 9 8.643 19.911 0.269 1.00 0.00 H new ATOM 0 HB3 PHE A 9 9.661 18.646 0.928 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.040 19.593 0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.919 16.453 0.788 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.253 17.952 0.369 1.00 0.00 H new ATOM 0 HE2 PHE A 9 7.134 14.810 0.396 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.798 15.558 0.183 1.00 0.00 H new ATOM 101 N ALA A 10 8.960 19.177 4.735 1.00 0.00 N ATOM 102 CA ALA A 10 9.058 18.264 5.867 1.00 0.00 C ATOM 103 C ALA A 10 7.678 17.797 6.318 1.00 0.00 C ATOM 104 O ALA A 10 6.721 18.572 6.320 1.00 0.00 O ATOM 105 CB ALA A 10 9.794 18.931 7.020 1.00 0.00 C ATOM 0 H ALA A 10 9.104 20.159 4.971 1.00 0.00 H new ATOM 0 HA ALA A 10 9.622 17.388 5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.860 18.238 7.859 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.798 19.209 6.699 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.252 19.825 7.329 1.00 0.00 H new ATOM 111 N ILE A 11 7.583 16.527 6.697 1.00 0.00 N ATOM 112 CA ILE A 11 6.320 15.959 7.149 1.00 0.00 C ATOM 113 C ILE A 11 5.571 16.932 8.054 1.00 0.00 C ATOM 114 O ILE A 11 6.115 17.416 9.047 1.00 0.00 O ATOM 115 CB ILE A 11 6.537 14.635 7.907 1.00 0.00 C ATOM 116 CG1 ILE A 11 7.201 13.603 6.993 1.00 0.00 C ATOM 117 CG2 ILE A 11 5.214 14.106 8.440 1.00 0.00 C ATOM 118 CD1 ILE A 11 8.712 13.651 7.023 1.00 0.00 C ATOM 0 H ILE A 11 8.365 15.873 6.700 1.00 0.00 H new ATOM 0 HA ILE A 11 5.725 15.765 6.257 1.00 0.00 H new ATOM 0 HB ILE A 11 7.198 14.822 8.754 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.872 12.606 7.285 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.861 13.764 5.970 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.384 13.170 8.973 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.778 14.837 9.121 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.531 13.931 7.609 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.114 12.892 6.352 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.051 14.636 6.702 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.062 13.460 8.037 1.00 0.00 H new ATOM 130 N ASP A 12 4.321 17.213 7.705 1.00 0.00 N ATOM 131 CA ASP A 12 3.496 18.126 8.487 1.00 0.00 C ATOM 132 C ASP A 12 2.153 17.487 8.829 1.00 0.00 C ATOM 133 O ASP A 12 1.538 16.801 8.013 1.00 0.00 O ATOM 134 CB ASP A 12 3.273 19.430 7.719 1.00 0.00 C ATOM 135 CG ASP A 12 4.540 19.938 7.061 1.00 0.00 C ATOM 136 OD1 ASP A 12 5.472 20.332 7.793 1.00 0.00 O ATOM 137 OD2 ASP A 12 4.601 19.942 5.813 1.00 0.00 O ATOM 0 H ASP A 12 3.857 16.822 6.886 1.00 0.00 H new ATOM 0 HA ASP A 12 4.021 18.346 9.417 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.509 19.274 6.957 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.892 20.190 8.402 1.00 0.00 H new ATOM 142 N PRO A 13 1.687 17.716 10.066 1.00 0.00 N ATOM 143 CA PRO A 13 0.413 17.172 10.545 1.00 0.00 C ATOM 144 C PRO A 13 -0.787 17.822 9.867 1.00 0.00 C ATOM 145 O PRO A 13 -1.927 17.406 10.069 1.00 0.00 O ATOM 146 CB PRO A 13 0.426 17.502 12.040 1.00 0.00 C ATOM 147 CG PRO A 13 1.320 18.688 12.158 1.00 0.00 C ATOM 148 CD PRO A 13 2.368 18.525 11.091 1.00 0.00 C ATOM 0 HA PRO A 13 0.318 16.108 10.330 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.577 17.724 12.405 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.801 16.664 12.627 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.761 19.613 12.018 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.775 18.737 13.147 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.691 19.488 10.694 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.257 18.024 11.474 1.00 0.00 H new ATOM 156 N ASN A 14 -0.523 18.845 9.060 1.00 0.00 N ATOM 157 CA ASN A 14 -1.583 19.553 8.352 1.00 0.00 C ATOM 158 C ASN A 14 -2.065 18.748 7.149 1.00 0.00 C ATOM 159 O ASN A 14 -3.246 18.419 7.043 1.00 0.00 O ATOM 160 CB ASN A 14 -1.089 20.928 7.895 1.00 0.00 C ATOM 161 CG ASN A 14 -0.344 21.667 8.989 1.00 0.00 C ATOM 162 OD1 ASN A 14 0.791 21.327 9.322 1.00 0.00 O ATOM 163 ND2 ASN A 14 -0.982 22.685 9.556 1.00 0.00 N ATOM 0 H ASN A 14 0.416 19.202 8.880 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.420 19.684 9.038 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.435 20.808 7.031 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.940 21.527 7.570 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.531 23.219 10.299 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.923 22.932 9.249 1.00 0.00 H new ATOM 170 N GLU A 15 -1.142 18.435 6.245 1.00 0.00 N ATOM 171 CA GLU A 15 -1.473 17.669 5.049 1.00 0.00 C ATOM 172 C GLU A 15 -2.273 16.420 5.408 1.00 0.00 C ATOM 173 O GLU A 15 -2.035 15.771 6.427 1.00 0.00 O ATOM 174 CB GLU A 15 -0.199 17.274 4.300 1.00 0.00 C ATOM 175 CG GLU A 15 0.334 18.366 3.388 1.00 0.00 C ATOM 176 CD GLU A 15 1.683 18.019 2.788 1.00 0.00 C ATOM 177 OE1 GLU A 15 1.710 17.396 1.707 1.00 0.00 O ATOM 178 OE2 GLU A 15 2.712 18.372 3.402 1.00 0.00 O ATOM 0 H GLU A 15 -0.160 18.700 6.318 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.085 18.299 4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.571 17.009 5.025 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.398 16.382 3.706 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.381 18.545 2.585 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.419 19.295 3.952 1.00 0.00 H new ATOM 185 N PRO A 16 -3.245 16.074 4.551 1.00 0.00 N ATOM 186 CA PRO A 16 -4.101 14.901 4.756 1.00 0.00 C ATOM 187 C PRO A 16 -3.341 13.591 4.575 1.00 0.00 C ATOM 188 O PRO A 16 -2.138 13.590 4.313 1.00 0.00 O ATOM 189 CB PRO A 16 -5.173 15.051 3.674 1.00 0.00 C ATOM 190 CG PRO A 16 -4.525 15.865 2.609 1.00 0.00 C ATOM 191 CD PRO A 16 -3.585 16.801 3.317 1.00 0.00 C ATOM 0 HA PRO A 16 -4.501 14.860 5.769 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.489 14.080 3.293 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.063 15.545 4.064 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.987 15.230 1.906 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.268 16.419 2.035 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.699 17.011 2.717 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.058 17.759 3.532 1.00 0.00 H new ATOM 199 N THR A 17 -4.051 12.476 4.716 1.00 0.00 N ATOM 200 CA THR A 17 -3.444 11.160 4.569 1.00 0.00 C ATOM 201 C THR A 17 -4.332 10.233 3.747 1.00 0.00 C ATOM 202 O THR A 17 -5.559 10.329 3.796 1.00 0.00 O ATOM 203 CB THR A 17 -3.173 10.510 5.939 1.00 0.00 C ATOM 204 OG1 THR A 17 -4.409 10.271 6.621 1.00 0.00 O ATOM 205 CG2 THR A 17 -2.280 11.398 6.792 1.00 0.00 C ATOM 0 H THR A 17 -5.048 12.459 4.932 1.00 0.00 H new ATOM 0 HA THR A 17 -2.497 11.306 4.050 1.00 0.00 H new ATOM 0 HB THR A 17 -2.662 9.562 5.772 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.228 9.856 7.490 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.103 10.918 7.755 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.329 11.553 6.283 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.768 12.360 6.950 1.00 0.00 H new ATOM 213 N TYR A 18 -3.706 9.336 2.993 1.00 0.00 N ATOM 214 CA TYR A 18 -4.441 8.393 2.158 1.00 0.00 C ATOM 215 C TYR A 18 -3.894 6.979 2.324 1.00 0.00 C ATOM 216 O TYR A 18 -4.609 6.069 2.744 1.00 0.00 O ATOM 217 CB TYR A 18 -4.364 8.813 0.689 1.00 0.00 C ATOM 218 CG TYR A 18 -4.865 10.216 0.433 1.00 0.00 C ATOM 219 CD1 TYR A 18 -4.069 11.320 0.709 1.00 0.00 C ATOM 220 CD2 TYR A 18 -6.135 10.437 -0.086 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.523 12.604 0.478 1.00 0.00 C ATOM 222 CE2 TYR A 18 -6.597 11.718 -0.322 1.00 0.00 C ATOM 223 CZ TYR A 18 -5.788 12.798 -0.038 1.00 0.00 C ATOM 224 OH TYR A 18 -6.243 14.075 -0.271 1.00 0.00 O ATOM 0 H TYR A 18 -2.692 9.242 2.943 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.483 8.400 2.476 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.330 8.738 0.352 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.946 8.113 0.089 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.078 11.172 1.111 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.772 9.594 -0.309 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.891 13.451 0.700 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.586 11.872 -0.727 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.152 14.037 -0.636 1.00 0.00 H new ATOM 234 N CYS A 19 -2.620 6.801 1.992 1.00 0.00 N ATOM 235 CA CYS A 19 -1.974 5.499 2.103 1.00 0.00 C ATOM 236 C CYS A 19 -2.395 4.791 3.387 1.00 0.00 C ATOM 237 O CYS A 19 -2.914 5.416 4.313 1.00 0.00 O ATOM 238 CB CYS A 19 -0.452 5.656 2.069 1.00 0.00 C ATOM 239 SG CYS A 19 0.454 4.086 1.896 1.00 0.00 S ATOM 0 H CYS A 19 -2.014 7.543 1.643 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.288 4.892 1.254 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.184 6.311 1.240 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.128 6.151 2.984 1.00 0.00 H new ATOM 244 N LEU A 20 -2.167 3.483 3.437 1.00 0.00 N ATOM 245 CA LEU A 20 -2.522 2.689 4.608 1.00 0.00 C ATOM 246 C LEU A 20 -1.770 3.174 5.844 1.00 0.00 C ATOM 247 O LEU A 20 -2.318 3.203 6.946 1.00 0.00 O ATOM 248 CB LEU A 20 -2.216 1.211 4.358 1.00 0.00 C ATOM 249 CG LEU A 20 -2.862 0.593 3.118 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.077 -0.627 2.659 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.310 0.222 3.399 1.00 0.00 C ATOM 0 H LEU A 20 -1.738 2.950 2.680 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.591 2.808 4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.135 1.093 4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.535 0.642 5.231 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.846 1.333 2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.552 -1.054 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.056 -0.332 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.060 -1.370 3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.753 -0.216 2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.349 -0.500 4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.867 1.116 3.679 1.00 0.00 H new ATOM 263 N CYS A 21 -0.512 3.555 5.652 1.00 0.00 N ATOM 264 CA CYS A 21 0.316 4.041 6.749 1.00 0.00 C ATOM 265 C CYS A 21 -0.134 5.428 7.197 1.00 0.00 C ATOM 266 O CYS A 21 0.437 6.009 8.119 1.00 0.00 O ATOM 267 CB CYS A 21 1.787 4.081 6.327 1.00 0.00 C ATOM 268 SG CYS A 21 2.134 5.222 4.950 1.00 0.00 S ATOM 0 H CYS A 21 -0.043 3.537 4.746 1.00 0.00 H new ATOM 0 HA CYS A 21 0.204 3.354 7.588 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.393 4.370 7.186 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.099 3.077 6.040 1.00 0.00 H new ATOM 273 N ASN A 22 -1.162 5.953 6.538 1.00 0.00 N ATOM 274 CA ASN A 22 -1.689 7.272 6.868 1.00 0.00 C ATOM 275 C ASN A 22 -0.594 8.331 6.787 1.00 0.00 C ATOM 276 O ASN A 22 -0.358 9.067 7.744 1.00 0.00 O ATOM 277 CB ASN A 22 -2.303 7.263 8.269 1.00 0.00 C ATOM 278 CG ASN A 22 -3.552 6.407 8.347 1.00 0.00 C ATOM 279 OD1 ASN A 22 -4.097 5.990 7.325 1.00 0.00 O ATOM 280 ND2 ASN A 22 -4.013 6.142 9.565 1.00 0.00 N ATOM 0 H ASN A 22 -1.647 5.485 5.772 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.463 7.519 6.141 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.567 6.893 8.983 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.547 8.284 8.563 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.851 5.572 9.680 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.529 6.509 10.384 1.00 0.00 H new ATOM 287 N GLN A 23 0.070 8.401 5.638 1.00 0.00 N ATOM 288 CA GLN A 23 1.140 9.370 5.433 1.00 0.00 C ATOM 289 C GLN A 23 0.839 10.269 4.237 1.00 0.00 C ATOM 290 O GLN A 23 -0.008 9.947 3.404 1.00 0.00 O ATOM 291 CB GLN A 23 2.474 8.652 5.223 1.00 0.00 C ATOM 292 CG GLN A 23 3.101 8.144 6.511 1.00 0.00 C ATOM 293 CD GLN A 23 3.903 9.211 7.230 1.00 0.00 C ATOM 294 OE1 GLN A 23 3.388 10.285 7.544 1.00 0.00 O ATOM 295 NE2 GLN A 23 5.172 8.921 7.495 1.00 0.00 N ATOM 0 H GLN A 23 -0.114 7.799 4.835 1.00 0.00 H new ATOM 0 HA GLN A 23 1.207 9.993 6.325 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.322 7.811 4.546 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.170 9.333 4.734 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.316 7.777 7.173 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.750 7.297 6.286 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.558 8.019 7.217 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.761 9.601 7.977 1.00 0.00 H new ATOM 304 N VAL A 24 1.539 11.396 4.159 1.00 0.00 N ATOM 305 CA VAL A 24 1.347 12.341 3.066 1.00 0.00 C ATOM 306 C VAL A 24 1.955 11.813 1.771 1.00 0.00 C ATOM 307 O VAL A 24 3.100 11.363 1.749 1.00 0.00 O ATOM 308 CB VAL A 24 1.971 13.711 3.392 1.00 0.00 C ATOM 309 CG1 VAL A 24 1.378 14.277 4.673 1.00 0.00 C ATOM 310 CG2 VAL A 24 3.484 13.595 3.500 1.00 0.00 C ATOM 0 H VAL A 24 2.244 11.677 4.840 1.00 0.00 H new ATOM 0 HA VAL A 24 0.271 12.462 2.937 1.00 0.00 H new ATOM 0 HB VAL A 24 1.740 14.399 2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.831 15.245 4.887 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.302 14.399 4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.576 13.593 5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.908 14.572 3.731 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.739 12.892 4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.890 13.237 2.554 1.00 0.00 H new ATOM 320 N SER A 25 1.179 11.872 0.693 1.00 0.00 N ATOM 321 CA SER A 25 1.640 11.397 -0.607 1.00 0.00 C ATOM 322 C SER A 25 3.079 11.830 -0.865 1.00 0.00 C ATOM 323 O SER A 25 3.466 12.956 -0.551 1.00 0.00 O ATOM 324 CB SER A 25 0.729 11.924 -1.718 1.00 0.00 C ATOM 325 OG SER A 25 1.444 12.081 -2.931 1.00 0.00 O ATOM 0 H SER A 25 0.229 12.244 0.694 1.00 0.00 H new ATOM 0 HA SER A 25 1.603 10.308 -0.602 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.102 11.235 -1.869 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.300 12.880 -1.418 1.00 0.00 H new ATOM 0 HG SER A 25 1.547 11.209 -3.365 1.00 0.00 H new ATOM 331 N TYR A 26 3.868 10.929 -1.439 1.00 0.00 N ATOM 332 CA TYR A 26 5.266 11.216 -1.738 1.00 0.00 C ATOM 333 C TYR A 26 5.826 10.211 -2.740 1.00 0.00 C ATOM 334 O TYR A 26 5.473 9.033 -2.719 1.00 0.00 O ATOM 335 CB TYR A 26 6.099 11.191 -0.455 1.00 0.00 C ATOM 336 CG TYR A 26 6.510 9.801 -0.026 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.596 9.164 -0.613 1.00 0.00 C ATOM 338 CD2 TYR A 26 5.811 9.123 0.966 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.975 7.894 -0.226 1.00 0.00 C ATOM 340 CE2 TYR A 26 6.184 7.853 1.361 1.00 0.00 C ATOM 341 CZ TYR A 26 7.266 7.242 0.762 1.00 0.00 C ATOM 342 OH TYR A 26 7.640 5.977 1.152 1.00 0.00 O ATOM 0 H TYR A 26 3.563 9.993 -1.707 1.00 0.00 H new ATOM 0 HA TYR A 26 5.320 12.211 -2.180 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.994 11.796 -0.601 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.527 11.656 0.348 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.154 9.671 -1.386 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.962 9.597 1.436 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.822 7.414 -0.694 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.631 7.341 2.135 1.00 0.00 H new ATOM 0 HH TYR A 26 7.038 5.661 1.858 1.00 0.00 H new ATOM 352 N GLY A 27 6.704 10.688 -3.618 1.00 0.00 N ATOM 353 CA GLY A 27 7.300 9.819 -4.616 1.00 0.00 C ATOM 354 C GLY A 27 6.289 9.319 -5.628 1.00 0.00 C ATOM 355 O GLY A 27 5.680 10.109 -6.348 1.00 0.00 O ATOM 0 H GLY A 27 7.013 11.659 -3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.093 10.357 -5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.765 8.967 -4.120 1.00 0.00 H new ATOM 359 N GLU A 28 6.111 8.002 -5.683 1.00 0.00 N ATOM 360 CA GLU A 28 5.167 7.398 -6.616 1.00 0.00 C ATOM 361 C GLU A 28 3.981 6.790 -5.873 1.00 0.00 C ATOM 362 O GLU A 28 4.146 6.157 -4.831 1.00 0.00 O ATOM 363 CB GLU A 28 5.863 6.324 -7.455 1.00 0.00 C ATOM 364 CG GLU A 28 6.524 5.237 -6.624 1.00 0.00 C ATOM 365 CD GLU A 28 7.754 4.657 -7.295 1.00 0.00 C ATOM 366 OE1 GLU A 28 7.754 4.549 -8.540 1.00 0.00 O ATOM 367 OE2 GLU A 28 8.714 4.310 -6.577 1.00 0.00 O ATOM 0 H GLU A 28 6.608 7.334 -5.093 1.00 0.00 H new ATOM 0 HA GLU A 28 4.796 8.182 -7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.133 5.866 -8.122 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.617 6.798 -8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.803 5.646 -5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.805 4.439 -6.439 1.00 0.00 H new ATOM 374 N MET A 29 2.785 6.989 -6.418 1.00 0.00 N ATOM 375 CA MET A 29 1.570 6.460 -5.808 1.00 0.00 C ATOM 376 C MET A 29 0.588 5.985 -6.874 1.00 0.00 C ATOM 377 O MET A 29 0.563 6.513 -7.986 1.00 0.00 O ATOM 378 CB MET A 29 0.911 7.525 -4.928 1.00 0.00 C ATOM 379 CG MET A 29 1.426 7.536 -3.498 1.00 0.00 C ATOM 380 SD MET A 29 0.647 8.811 -2.489 1.00 0.00 S ATOM 381 CE MET A 29 -0.659 7.870 -1.703 1.00 0.00 C ATOM 0 H MET A 29 2.631 7.512 -7.280 1.00 0.00 H new ATOM 0 HA MET A 29 1.846 5.607 -5.189 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.078 8.506 -5.373 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.166 7.359 -4.916 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.249 6.561 -3.045 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.505 7.693 -3.506 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.297 8.542 -1.129 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.255 7.368 -2.465 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.221 7.127 -1.036 1.00 0.00 H new ATOM 391 N ILE A 30 -0.217 4.987 -6.527 1.00 0.00 N ATOM 392 CA ILE A 30 -1.201 4.443 -7.455 1.00 0.00 C ATOM 393 C ILE A 30 -2.621 4.762 -7.000 1.00 0.00 C ATOM 394 O ILE A 30 -2.855 5.075 -5.834 1.00 0.00 O ATOM 395 CB ILE A 30 -1.051 2.917 -7.603 1.00 0.00 C ATOM 396 CG1 ILE A 30 -1.733 2.201 -6.435 1.00 0.00 C ATOM 397 CG2 ILE A 30 0.419 2.534 -7.681 1.00 0.00 C ATOM 398 CD1 ILE A 30 -1.139 2.543 -5.086 1.00 0.00 C ATOM 0 H ILE A 30 -0.208 4.539 -5.611 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.018 4.913 -8.421 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.536 2.607 -8.529 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.793 2.457 -6.432 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.665 1.124 -6.590 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.508 1.453 -7.785 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.877 3.021 -8.542 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.927 2.854 -6.771 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.672 2.000 -4.306 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.086 2.262 -5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.231 3.615 -4.909 1.00 0.00 H new ATOM 410 N GLY A 31 -3.568 4.677 -7.930 1.00 0.00 N ATOM 411 CA GLY A 31 -4.954 4.958 -7.605 1.00 0.00 C ATOM 412 C GLY A 31 -5.844 3.741 -7.765 1.00 0.00 C ATOM 413 O GLY A 31 -6.041 3.248 -8.876 1.00 0.00 O ATOM 0 H GLY A 31 -3.400 4.419 -8.902 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.018 5.319 -6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.320 5.759 -8.247 1.00 0.00 H new ATOM 417 N CYS A 32 -6.383 3.255 -6.652 1.00 0.00 N ATOM 418 CA CYS A 32 -7.256 2.087 -6.672 1.00 0.00 C ATOM 419 C CYS A 32 -8.360 2.251 -7.712 1.00 0.00 C ATOM 420 O CYS A 32 -9.274 3.058 -7.541 1.00 0.00 O ATOM 421 CB CYS A 32 -7.872 1.861 -5.290 1.00 0.00 C ATOM 422 SG CYS A 32 -9.068 0.489 -5.224 1.00 0.00 S ATOM 0 H CYS A 32 -6.231 3.652 -5.725 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.654 1.219 -6.941 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.072 1.666 -4.575 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.369 2.777 -4.971 1.00 0.00 H new ATOM 427 N ASP A 33 -8.269 1.480 -8.790 1.00 0.00 N ATOM 428 CA ASP A 33 -9.260 1.537 -9.858 1.00 0.00 C ATOM 429 C ASP A 33 -10.659 1.750 -9.290 1.00 0.00 C ATOM 430 O ASP A 33 -11.512 2.365 -9.927 1.00 0.00 O ATOM 431 CB ASP A 33 -9.222 0.253 -10.688 1.00 0.00 C ATOM 432 CG ASP A 33 -9.818 0.439 -12.070 1.00 0.00 C ATOM 433 OD1 ASP A 33 -9.346 1.333 -12.804 1.00 0.00 O ATOM 434 OD2 ASP A 33 -10.754 -0.310 -12.417 1.00 0.00 O ATOM 0 H ASP A 33 -7.518 0.808 -8.947 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.016 2.382 -10.501 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.190 -0.084 -10.783 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.767 -0.532 -10.163 1.00 0.00 H new ATOM 439 N ASN A 34 -10.888 1.234 -8.086 1.00 0.00 N ATOM 440 CA ASN A 34 -12.185 1.365 -7.432 1.00 0.00 C ATOM 441 C ASN A 34 -12.422 2.802 -6.978 1.00 0.00 C ATOM 442 O ASN A 34 -11.873 3.243 -5.969 1.00 0.00 O ATOM 443 CB ASN A 34 -12.274 0.418 -6.234 1.00 0.00 C ATOM 444 CG ASN A 34 -13.688 0.290 -5.701 1.00 0.00 C ATOM 445 OD1 ASN A 34 -14.626 0.031 -6.455 1.00 0.00 O ATOM 446 ND2 ASN A 34 -13.847 0.472 -4.395 1.00 0.00 N ATOM 0 H ASN A 34 -10.192 0.722 -7.544 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.957 1.099 -8.154 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.908 -0.567 -6.525 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.621 0.779 -5.440 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.776 0.399 -3.979 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.041 0.685 -3.808 1.00 0.00 H new ATOM 453 N GLU A 35 -13.244 3.527 -7.730 1.00 0.00 N ATOM 454 CA GLU A 35 -13.553 4.915 -7.404 1.00 0.00 C ATOM 455 C GLU A 35 -14.100 5.031 -5.984 1.00 0.00 C ATOM 456 O GLU A 35 -13.631 5.849 -5.193 1.00 0.00 O ATOM 457 CB GLU A 35 -14.566 5.483 -8.400 1.00 0.00 C ATOM 458 CG GLU A 35 -13.926 6.112 -9.627 1.00 0.00 C ATOM 459 CD GLU A 35 -12.915 7.184 -9.271 1.00 0.00 C ATOM 460 OE1 GLU A 35 -13.120 7.879 -8.254 1.00 0.00 O ATOM 461 OE2 GLU A 35 -11.918 7.328 -10.009 1.00 0.00 O ATOM 0 H GLU A 35 -13.708 3.177 -8.568 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.630 5.491 -7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -15.236 4.685 -8.719 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.178 6.231 -7.896 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.436 5.336 -10.215 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.703 6.545 -10.256 1.00 0.00 H new ATOM 468 N GLN A 36 -15.094 4.207 -5.670 1.00 0.00 N ATOM 469 CA GLN A 36 -15.706 4.218 -4.346 1.00 0.00 C ATOM 470 C GLN A 36 -14.648 4.373 -3.259 1.00 0.00 C ATOM 471 O GLN A 36 -14.890 5.000 -2.227 1.00 0.00 O ATOM 472 CB GLN A 36 -16.504 2.933 -4.119 1.00 0.00 C ATOM 473 CG GLN A 36 -16.989 2.764 -2.688 1.00 0.00 C ATOM 474 CD GLN A 36 -18.312 3.460 -2.435 1.00 0.00 C ATOM 475 OE1 GLN A 36 -18.346 4.610 -1.995 1.00 0.00 O ATOM 476 NE2 GLN A 36 -19.409 2.766 -2.710 1.00 0.00 N ATOM 0 H GLN A 36 -15.493 3.524 -6.314 1.00 0.00 H new ATOM 0 HA GLN A 36 -16.383 5.071 -4.293 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -17.364 2.926 -4.789 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.884 2.078 -4.387 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -17.093 1.702 -2.467 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -16.238 3.160 -2.004 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -19.334 1.816 -3.073 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -20.328 3.183 -2.558 1.00 0.00 H new ATOM 485 N CYS A 37 -13.474 3.798 -3.497 1.00 0.00 N ATOM 486 CA CYS A 37 -12.378 3.871 -2.538 1.00 0.00 C ATOM 487 C CYS A 37 -12.180 5.301 -2.045 1.00 0.00 C ATOM 488 O CYS A 37 -11.858 6.209 -2.811 1.00 0.00 O ATOM 489 CB CYS A 37 -11.084 3.354 -3.171 1.00 0.00 C ATOM 490 SG CYS A 37 -9.931 2.588 -1.986 1.00 0.00 S ATOM 0 H CYS A 37 -13.257 3.276 -4.346 1.00 0.00 H new ATOM 0 HA CYS A 37 -12.633 3.244 -1.684 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -11.335 2.624 -3.941 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.580 4.182 -3.669 1.00 0.00 H new ATOM 495 N PRO A 38 -12.378 5.508 -0.735 1.00 0.00 N ATOM 496 CA PRO A 38 -12.227 6.825 -0.109 1.00 0.00 C ATOM 497 C PRO A 38 -10.772 7.280 -0.062 1.00 0.00 C ATOM 498 O PRO A 38 -10.476 8.402 0.353 1.00 0.00 O ATOM 499 CB PRO A 38 -12.766 6.609 1.307 1.00 0.00 C ATOM 500 CG PRO A 38 -12.581 5.154 1.565 1.00 0.00 C ATOM 501 CD PRO A 38 -12.764 4.471 0.238 1.00 0.00 C ATOM 0 HA PRO A 38 -12.751 7.603 -0.664 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.222 7.212 2.034 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.816 6.893 1.379 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.591 4.953 1.974 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.306 4.792 2.294 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.135 3.585 0.152 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.794 4.146 0.092 1.00 0.00 H new ATOM 509 N ILE A 39 -9.868 6.405 -0.488 1.00 0.00 N ATOM 510 CA ILE A 39 -8.445 6.718 -0.495 1.00 0.00 C ATOM 511 C ILE A 39 -7.918 6.850 -1.920 1.00 0.00 C ATOM 512 O ILE A 39 -7.363 7.883 -2.293 1.00 0.00 O ATOM 513 CB ILE A 39 -7.628 5.643 0.245 1.00 0.00 C ATOM 514 CG1 ILE A 39 -8.135 5.483 1.680 1.00 0.00 C ATOM 515 CG2 ILE A 39 -6.150 6.003 0.238 1.00 0.00 C ATOM 516 CD1 ILE A 39 -7.555 4.284 2.396 1.00 0.00 C ATOM 0 H ILE A 39 -10.096 5.473 -0.833 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.329 7.670 0.022 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.754 4.692 -0.273 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.895 6.384 2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.221 5.397 1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.586 5.234 0.765 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.797 6.071 -0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.007 6.962 0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.959 4.234 3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.818 3.375 1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.470 4.378 2.443 1.00 0.00 H new ATOM 528 N GLU A 40 -8.098 5.797 -2.711 1.00 0.00 N ATOM 529 CA GLU A 40 -7.642 5.796 -4.096 1.00 0.00 C ATOM 530 C GLU A 40 -6.239 6.386 -4.207 1.00 0.00 C ATOM 531 O GLU A 40 -5.901 7.028 -5.201 1.00 0.00 O ATOM 532 CB GLU A 40 -8.611 6.588 -4.977 1.00 0.00 C ATOM 533 CG GLU A 40 -9.726 5.742 -5.567 1.00 0.00 C ATOM 534 CD GLU A 40 -10.201 6.259 -6.912 1.00 0.00 C ATOM 535 OE1 GLU A 40 -10.879 7.308 -6.937 1.00 0.00 O ATOM 536 OE2 GLU A 40 -9.894 5.616 -7.937 1.00 0.00 O ATOM 0 H GLU A 40 -8.556 4.934 -2.417 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.612 4.762 -4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.050 7.393 -4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.053 7.055 -5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.378 4.715 -5.679 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.566 5.720 -4.873 1.00 0.00 H new ATOM 543 N TRP A 41 -5.428 6.165 -3.179 1.00 0.00 N ATOM 544 CA TRP A 41 -4.061 6.675 -3.159 1.00 0.00 C ATOM 545 C TRP A 41 -3.207 5.904 -2.159 1.00 0.00 C ATOM 546 O TRP A 41 -3.449 5.953 -0.953 1.00 0.00 O ATOM 547 CB TRP A 41 -4.056 8.165 -2.812 1.00 0.00 C ATOM 548 CG TRP A 41 -4.682 9.023 -3.870 1.00 0.00 C ATOM 549 CD1 TRP A 41 -5.786 9.816 -3.734 1.00 0.00 C ATOM 550 CD2 TRP A 41 -4.242 9.172 -5.224 1.00 0.00 C ATOM 551 NE1 TRP A 41 -6.058 10.450 -4.923 1.00 0.00 N ATOM 552 CE2 TRP A 41 -5.125 10.072 -5.852 1.00 0.00 C ATOM 553 CE3 TRP A 41 -3.187 8.636 -5.966 1.00 0.00 C ATOM 554 CZ2 TRP A 41 -4.984 10.444 -7.186 1.00 0.00 C ATOM 555 CZ3 TRP A 41 -3.048 9.005 -7.290 1.00 0.00 C ATOM 556 CH2 TRP A 41 -3.942 9.903 -7.889 1.00 0.00 C ATOM 0 H TRP A 41 -5.693 5.636 -2.348 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.634 6.539 -4.153 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.588 8.314 -1.872 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.028 8.490 -2.652 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.360 9.928 -2.826 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.829 11.097 -5.087 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.492 7.945 -5.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.672 11.135 -7.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.237 8.595 -7.873 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.806 10.173 -8.926 1.00 0.00 H new ATOM 567 N PHE A 42 -2.205 5.193 -2.667 1.00 0.00 N ATOM 568 CA PHE A 42 -1.315 4.411 -1.818 1.00 0.00 C ATOM 569 C PHE A 42 0.101 4.391 -2.387 1.00 0.00 C ATOM 570 O PHE A 42 0.301 4.565 -3.589 1.00 0.00 O ATOM 571 CB PHE A 42 -1.839 2.981 -1.673 1.00 0.00 C ATOM 572 CG PHE A 42 -3.280 2.910 -1.256 1.00 0.00 C ATOM 573 CD1 PHE A 42 -4.292 2.963 -2.200 1.00 0.00 C ATOM 574 CD2 PHE A 42 -3.623 2.792 0.082 1.00 0.00 C ATOM 575 CE1 PHE A 42 -5.619 2.898 -1.820 1.00 0.00 C ATOM 576 CE2 PHE A 42 -4.948 2.725 0.468 1.00 0.00 C ATOM 577 CZ PHE A 42 -5.948 2.780 -0.484 1.00 0.00 C ATOM 0 H PHE A 42 -1.990 5.143 -3.663 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.286 4.881 -0.835 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.718 2.460 -2.623 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.230 2.452 -0.940 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.041 3.056 -3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.846 2.752 0.831 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.398 2.939 -2.567 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.202 2.630 1.513 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.984 2.731 -0.184 1.00 0.00 H new ATOM 587 N HIS A 43 1.080 4.177 -1.514 1.00 0.00 N ATOM 588 CA HIS A 43 2.478 4.134 -1.928 1.00 0.00 C ATOM 589 C HIS A 43 2.809 2.796 -2.583 1.00 0.00 C ATOM 590 O HIS A 43 1.995 1.872 -2.578 1.00 0.00 O ATOM 591 CB HIS A 43 3.395 4.368 -0.728 1.00 0.00 C ATOM 592 CG HIS A 43 3.150 5.671 -0.032 1.00 0.00 C ATOM 593 ND1 HIS A 43 3.152 5.804 1.341 1.00 0.00 N ATOM 594 CD2 HIS A 43 2.896 6.905 -0.527 1.00 0.00 C ATOM 595 CE1 HIS A 43 2.908 7.062 1.660 1.00 0.00 C ATOM 596 NE2 HIS A 43 2.749 7.752 0.544 1.00 0.00 N ATOM 0 H HIS A 43 0.931 4.031 -0.516 1.00 0.00 H new ATOM 0 HA HIS A 43 2.640 4.927 -2.659 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.262 3.554 -0.015 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.432 4.333 -1.061 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.823 7.174 -1.570 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.848 7.459 2.662 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.550 8.751 0.487 1.00 0.00 H new ATOM 604 N PHE A 44 4.009 2.700 -3.147 1.00 0.00 N ATOM 605 CA PHE A 44 4.447 1.476 -3.808 1.00 0.00 C ATOM 606 C PHE A 44 5.087 0.517 -2.808 1.00 0.00 C ATOM 607 O PHE A 44 4.586 -0.584 -2.580 1.00 0.00 O ATOM 608 CB PHE A 44 5.439 1.802 -4.926 1.00 0.00 C ATOM 609 CG PHE A 44 4.788 2.341 -6.167 1.00 0.00 C ATOM 610 CD1 PHE A 44 3.775 3.283 -6.081 1.00 0.00 C ATOM 611 CD2 PHE A 44 5.188 1.907 -7.420 1.00 0.00 C ATOM 612 CE1 PHE A 44 3.173 3.780 -7.221 1.00 0.00 C ATOM 613 CE2 PHE A 44 4.591 2.402 -8.565 1.00 0.00 C ATOM 614 CZ PHE A 44 3.583 3.340 -8.465 1.00 0.00 C ATOM 0 H PHE A 44 4.695 3.455 -3.159 1.00 0.00 H new ATOM 0 HA PHE A 44 3.571 0.992 -4.239 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.161 2.531 -4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 44 5.997 0.901 -5.180 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.452 3.633 -5.111 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.976 1.173 -7.504 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.383 4.512 -7.140 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.913 2.055 -9.536 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.116 3.729 -9.358 1.00 0.00 H new ATOM 624 N SER A 45 6.197 0.944 -2.215 1.00 0.00 N ATOM 625 CA SER A 45 6.908 0.123 -1.242 1.00 0.00 C ATOM 626 C SER A 45 5.945 -0.452 -0.208 1.00 0.00 C ATOM 627 O SER A 45 6.067 -1.609 0.195 1.00 0.00 O ATOM 628 CB SER A 45 7.993 0.947 -0.544 1.00 0.00 C ATOM 629 OG SER A 45 9.163 1.028 -1.340 1.00 0.00 O ATOM 0 H SER A 45 6.623 1.854 -2.391 1.00 0.00 H new ATOM 0 HA SER A 45 7.376 -0.704 -1.775 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.618 1.950 -0.340 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.234 0.495 0.418 1.00 0.00 H new ATOM 0 HG SER A 45 9.840 1.561 -0.873 1.00 0.00 H new ATOM 635 N CYS A 46 4.988 0.365 0.218 1.00 0.00 N ATOM 636 CA CYS A 46 4.003 -0.059 1.205 1.00 0.00 C ATOM 637 C CYS A 46 3.178 -1.232 0.682 1.00 0.00 C ATOM 638 O CYS A 46 2.965 -2.219 1.386 1.00 0.00 O ATOM 639 CB CYS A 46 3.080 1.105 1.569 1.00 0.00 C ATOM 640 SG CYS A 46 3.715 2.167 2.907 1.00 0.00 S ATOM 0 H CYS A 46 4.874 1.326 -0.105 1.00 0.00 H new ATOM 0 HA CYS A 46 4.538 -0.383 2.098 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.916 1.716 0.681 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.110 0.706 1.865 1.00 0.00 H new ATOM 645 N VAL A 47 2.717 -1.116 -0.560 1.00 0.00 N ATOM 646 CA VAL A 47 1.917 -2.166 -1.179 1.00 0.00 C ATOM 647 C VAL A 47 2.801 -3.183 -1.891 1.00 0.00 C ATOM 648 O VAL A 47 2.337 -3.929 -2.753 1.00 0.00 O ATOM 649 CB VAL A 47 0.910 -1.582 -2.188 1.00 0.00 C ATOM 650 CG1 VAL A 47 -0.059 -0.640 -1.491 1.00 0.00 C ATOM 651 CG2 VAL A 47 1.639 -0.871 -3.318 1.00 0.00 C ATOM 0 H VAL A 47 2.884 -0.306 -1.157 1.00 0.00 H new ATOM 0 HA VAL A 47 1.371 -2.663 -0.377 1.00 0.00 H new ATOM 0 HB VAL A 47 0.335 -2.403 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.763 -0.237 -2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.606 -1.185 -0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.496 0.178 -1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.912 -0.465 -4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.241 -0.059 -2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.287 -1.579 -3.835 1.00 0.00 H new ATOM 661 N SER A 48 4.079 -3.207 -1.525 1.00 0.00 N ATOM 662 CA SER A 48 5.031 -4.131 -2.132 1.00 0.00 C ATOM 663 C SER A 48 5.058 -3.965 -3.648 1.00 0.00 C ATOM 664 O SER A 48 4.958 -4.940 -4.393 1.00 0.00 O ATOM 665 CB SER A 48 4.673 -5.574 -1.772 1.00 0.00 C ATOM 666 OG SER A 48 5.640 -6.480 -2.274 1.00 0.00 O ATOM 0 H SER A 48 4.479 -2.598 -0.812 1.00 0.00 H new ATOM 0 HA SER A 48 6.022 -3.901 -1.741 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.603 -5.675 -0.689 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.693 -5.821 -2.179 1.00 0.00 H new ATOM 0 HG SER A 48 5.709 -6.380 -3.246 1.00 0.00 H new ATOM 672 N LEU A 49 5.195 -2.722 -4.098 1.00 0.00 N ATOM 673 CA LEU A 49 5.236 -2.426 -5.526 1.00 0.00 C ATOM 674 C LEU A 49 6.593 -1.856 -5.925 1.00 0.00 C ATOM 675 O LEU A 49 7.305 -1.280 -5.100 1.00 0.00 O ATOM 676 CB LEU A 49 4.127 -1.439 -5.894 1.00 0.00 C ATOM 677 CG LEU A 49 2.788 -2.055 -6.300 1.00 0.00 C ATOM 678 CD1 LEU A 49 1.693 -0.999 -6.300 1.00 0.00 C ATOM 679 CD2 LEU A 49 2.896 -2.713 -7.667 1.00 0.00 C ATOM 0 H LEU A 49 5.279 -1.904 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 49 5.080 -3.358 -6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.958 -0.780 -5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.481 -0.815 -6.715 1.00 0.00 H new ATOM 0 HG LEU A 49 2.526 -2.821 -5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.747 -1.456 -6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.598 -0.573 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.948 -0.210 -7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.934 -3.146 -7.939 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.181 -1.967 -8.409 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.651 -3.499 -7.634 1.00 0.00 H new ATOM 691 N THR A 50 6.947 -2.017 -7.196 1.00 0.00 N ATOM 692 CA THR A 50 8.218 -1.517 -7.705 1.00 0.00 C ATOM 693 C THR A 50 8.003 -0.532 -8.848 1.00 0.00 C ATOM 694 O THR A 50 8.751 0.436 -8.995 1.00 0.00 O ATOM 695 CB THR A 50 9.117 -2.668 -8.197 1.00 0.00 C ATOM 696 OG1 THR A 50 9.326 -3.612 -7.140 1.00 0.00 O ATOM 697 CG2 THR A 50 10.458 -2.137 -8.682 1.00 0.00 C ATOM 0 H THR A 50 6.371 -2.490 -7.892 1.00 0.00 H new ATOM 0 HA THR A 50 8.712 -1.007 -6.878 1.00 0.00 H new ATOM 0 HB THR A 50 8.616 -3.161 -9.030 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.897 -4.341 -7.461 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.076 -2.967 -9.024 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.297 -1.441 -9.505 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.963 -1.622 -7.864 1.00 0.00 H new ATOM 705 N TYR A 51 6.978 -0.782 -9.655 1.00 0.00 N ATOM 706 CA TYR A 51 6.666 0.083 -10.786 1.00 0.00 C ATOM 707 C TYR A 51 5.162 0.139 -11.031 1.00 0.00 C ATOM 708 O TYR A 51 4.427 -0.780 -10.669 1.00 0.00 O ATOM 709 CB TYR A 51 7.381 -0.411 -12.045 1.00 0.00 C ATOM 710 CG TYR A 51 7.187 -1.887 -12.312 1.00 0.00 C ATOM 711 CD1 TYR A 51 7.978 -2.837 -11.678 1.00 0.00 C ATOM 712 CD2 TYR A 51 6.213 -2.331 -13.197 1.00 0.00 C ATOM 713 CE1 TYR A 51 7.805 -4.187 -11.919 1.00 0.00 C ATOM 714 CE2 TYR A 51 6.031 -3.679 -13.443 1.00 0.00 C ATOM 715 CZ TYR A 51 6.830 -4.602 -12.801 1.00 0.00 C ATOM 716 OH TYR A 51 6.654 -5.945 -13.044 1.00 0.00 O ATOM 0 H TYR A 51 6.349 -1.577 -9.547 1.00 0.00 H new ATOM 0 HA TYR A 51 7.014 1.088 -10.549 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.020 0.155 -12.903 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.447 -0.204 -11.952 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.741 -2.515 -10.985 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.587 -1.610 -13.702 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.430 -4.912 -11.419 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.268 -4.007 -14.133 1.00 0.00 H new ATOM 0 HH TYR A 51 5.926 -6.068 -13.689 1.00 0.00 H new ATOM 726 N LYS A 52 4.709 1.225 -11.648 1.00 0.00 N ATOM 727 CA LYS A 52 3.293 1.403 -11.945 1.00 0.00 C ATOM 728 C LYS A 52 2.760 0.239 -12.774 1.00 0.00 C ATOM 729 O LYS A 52 3.109 0.066 -13.941 1.00 0.00 O ATOM 730 CB LYS A 52 3.069 2.720 -12.692 1.00 0.00 C ATOM 731 CG LYS A 52 1.712 3.348 -12.425 1.00 0.00 C ATOM 732 CD LYS A 52 0.608 2.634 -13.186 1.00 0.00 C ATOM 733 CE LYS A 52 -0.769 3.090 -12.729 1.00 0.00 C ATOM 734 NZ LYS A 52 -1.119 4.431 -13.275 1.00 0.00 N ATOM 0 H LYS A 52 5.303 1.996 -11.952 1.00 0.00 H new ATOM 0 HA LYS A 52 2.750 1.431 -11.000 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.849 3.426 -12.408 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.174 2.543 -13.762 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.499 3.315 -11.357 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.733 4.399 -12.714 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.719 2.823 -14.254 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.702 1.558 -13.042 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.516 2.363 -13.046 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.798 3.123 -11.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.065 4.706 -12.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.420 5.130 -12.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.117 4.394 -14.314 1.00 0.00 H new ATOM 748 N PRO A 53 1.892 -0.578 -12.158 1.00 0.00 N ATOM 749 CA PRO A 53 1.290 -1.738 -12.822 1.00 0.00 C ATOM 750 C PRO A 53 0.294 -1.335 -13.904 1.00 0.00 C ATOM 751 O PRO A 53 -0.625 -0.555 -13.657 1.00 0.00 O ATOM 752 CB PRO A 53 0.575 -2.467 -11.682 1.00 0.00 C ATOM 753 CG PRO A 53 0.291 -1.408 -10.674 1.00 0.00 C ATOM 754 CD PRO A 53 1.430 -0.431 -10.768 1.00 0.00 C ATOM 0 HA PRO A 53 2.035 -2.346 -13.335 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.344 -2.940 -12.029 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.200 -3.255 -11.263 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.661 -0.919 -10.880 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.222 -1.831 -9.672 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.104 0.588 -10.559 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.220 -0.665 -10.055 1.00 0.00 H new ATOM 762 N LYS A 54 0.483 -1.872 -15.105 1.00 0.00 N ATOM 763 CA LYS A 54 -0.399 -1.571 -16.226 1.00 0.00 C ATOM 764 C LYS A 54 -1.748 -2.262 -16.058 1.00 0.00 C ATOM 765 O LYS A 54 -1.877 -3.214 -15.289 1.00 0.00 O ATOM 766 CB LYS A 54 0.249 -2.006 -17.543 1.00 0.00 C ATOM 767 CG LYS A 54 1.364 -1.084 -18.006 1.00 0.00 C ATOM 768 CD LYS A 54 0.814 0.212 -18.578 1.00 0.00 C ATOM 769 CE LYS A 54 1.902 1.266 -18.714 1.00 0.00 C ATOM 770 NZ LYS A 54 2.674 1.107 -19.977 1.00 0.00 N ATOM 0 H LYS A 54 1.240 -2.519 -15.327 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.563 -0.494 -16.248 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.647 -3.014 -17.427 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.517 -2.053 -18.317 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.025 -0.862 -17.168 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.966 -1.590 -18.761 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.368 0.020 -19.554 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.020 0.588 -17.933 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.452 2.258 -18.686 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.580 1.200 -17.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.406 1.844 -20.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.125 0.170 -19.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.032 1.196 -20.790 1.00 0.00 H new ATOM 784 N GLY A 55 -2.751 -1.778 -16.784 1.00 0.00 N ATOM 785 CA GLY A 55 -4.077 -2.363 -16.702 1.00 0.00 C ATOM 786 C GLY A 55 -4.904 -1.769 -15.579 1.00 0.00 C ATOM 787 O GLY A 55 -5.321 -0.613 -15.650 1.00 0.00 O ATOM 0 H GLY A 55 -2.669 -0.991 -17.428 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.596 -2.214 -17.649 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.988 -3.439 -16.553 1.00 0.00 H new ATOM 791 N LYS A 56 -5.143 -2.561 -14.540 1.00 0.00 N ATOM 792 CA LYS A 56 -5.927 -2.108 -13.396 1.00 0.00 C ATOM 793 C LYS A 56 -5.318 -2.604 -12.089 1.00 0.00 C ATOM 794 O LYS A 56 -5.025 -3.790 -11.940 1.00 0.00 O ATOM 795 CB LYS A 56 -7.372 -2.597 -13.516 1.00 0.00 C ATOM 796 CG LYS A 56 -7.491 -4.098 -13.718 1.00 0.00 C ATOM 797 CD LYS A 56 -8.859 -4.481 -14.257 1.00 0.00 C ATOM 798 CE LYS A 56 -9.064 -5.988 -14.239 1.00 0.00 C ATOM 799 NZ LYS A 56 -10.279 -6.392 -14.999 1.00 0.00 N ATOM 0 H LYS A 56 -4.805 -3.521 -14.466 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.918 -1.018 -13.390 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.918 -2.316 -12.616 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.851 -2.087 -14.352 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.719 -4.435 -14.409 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.316 -4.609 -12.771 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.634 -4.000 -13.660 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.966 -4.110 -15.276 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.189 -6.479 -14.666 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.150 -6.330 -13.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.383 -7.426 -14.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.117 -5.944 -14.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.186 -6.088 -15.989 1.00 0.00 H new ATOM 813 N TRP A 57 -5.131 -1.689 -11.145 1.00 0.00 N ATOM 814 CA TRP A 57 -4.557 -2.034 -9.849 1.00 0.00 C ATOM 815 C TRP A 57 -5.522 -1.693 -8.718 1.00 0.00 C ATOM 816 O TRP A 57 -5.913 -0.538 -8.550 1.00 0.00 O ATOM 817 CB TRP A 57 -3.231 -1.301 -9.643 1.00 0.00 C ATOM 818 CG TRP A 57 -2.542 -1.667 -8.363 1.00 0.00 C ATOM 819 CD1 TRP A 57 -1.544 -2.585 -8.203 1.00 0.00 C ATOM 820 CD2 TRP A 57 -2.803 -1.125 -7.064 1.00 0.00 C ATOM 821 NE1 TRP A 57 -1.168 -2.646 -6.883 1.00 0.00 N ATOM 822 CE2 TRP A 57 -1.924 -1.759 -6.164 1.00 0.00 C ATOM 823 CE3 TRP A 57 -3.690 -0.163 -6.573 1.00 0.00 C ATOM 824 CZ2 TRP A 57 -1.911 -1.463 -4.803 1.00 0.00 C ATOM 825 CZ3 TRP A 57 -3.676 0.130 -5.223 1.00 0.00 C ATOM 826 CH2 TRP A 57 -2.791 -0.518 -4.351 1.00 0.00 C ATOM 0 H TRP A 57 -5.368 -0.703 -11.252 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.375 -3.109 -9.835 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.568 -1.522 -10.480 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.413 -0.226 -9.655 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.113 -3.176 -8.998 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.443 -3.253 -6.501 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.375 0.343 -7.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -1.231 -1.962 -4.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.358 0.871 -4.833 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.804 -0.266 -3.301 1.00 0.00 H new ATOM 837 N TYR A 58 -5.903 -2.705 -7.946 1.00 0.00 N ATOM 838 CA TYR A 58 -6.824 -2.512 -6.833 1.00 0.00 C ATOM 839 C TYR A 58 -6.097 -2.630 -5.497 1.00 0.00 C ATOM 840 O TYR A 58 -5.293 -3.540 -5.293 1.00 0.00 O ATOM 841 CB TYR A 58 -7.960 -3.534 -6.900 1.00 0.00 C ATOM 842 CG TYR A 58 -8.942 -3.275 -8.021 1.00 0.00 C ATOM 843 CD1 TYR A 58 -8.665 -3.680 -9.321 1.00 0.00 C ATOM 844 CD2 TYR A 58 -10.146 -2.626 -7.780 1.00 0.00 C ATOM 845 CE1 TYR A 58 -9.558 -3.446 -10.348 1.00 0.00 C ATOM 846 CE2 TYR A 58 -11.046 -2.388 -8.800 1.00 0.00 C ATOM 847 CZ TYR A 58 -10.748 -2.800 -10.083 1.00 0.00 C ATOM 848 OH TYR A 58 -11.641 -2.564 -11.102 1.00 0.00 O ATOM 0 H TYR A 58 -5.588 -3.667 -8.071 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.242 -1.508 -6.911 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.535 -4.530 -7.024 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.496 -3.532 -5.951 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.735 -4.187 -9.532 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.383 -2.302 -6.777 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.326 -3.767 -11.353 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.978 -1.882 -8.595 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.440 -1.700 -11.519 1.00 0.00 H new ATOM 858 N CYS A 59 -6.386 -1.703 -4.589 1.00 0.00 N ATOM 859 CA CYS A 59 -5.761 -1.701 -3.272 1.00 0.00 C ATOM 860 C CYS A 59 -6.004 -3.025 -2.553 1.00 0.00 C ATOM 861 O CYS A 59 -6.976 -3.734 -2.816 1.00 0.00 O ATOM 862 CB CYS A 59 -6.303 -0.544 -2.430 1.00 0.00 C ATOM 863 SG CYS A 59 -8.016 -0.779 -1.859 1.00 0.00 S ATOM 0 H CYS A 59 -7.049 -0.943 -4.742 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.687 -1.572 -3.406 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.658 -0.407 -1.562 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.249 0.374 -3.016 1.00 0.00 H new ATOM 868 N PRO A 60 -5.100 -3.368 -1.624 1.00 0.00 N ATOM 869 CA PRO A 60 -5.193 -4.608 -0.847 1.00 0.00 C ATOM 870 C PRO A 60 -6.350 -4.583 0.146 1.00 0.00 C ATOM 871 O PRO A 60 -6.552 -5.533 0.904 1.00 0.00 O ATOM 872 CB PRO A 60 -3.854 -4.665 -0.108 1.00 0.00 C ATOM 873 CG PRO A 60 -3.413 -3.246 -0.013 1.00 0.00 C ATOM 874 CD PRO A 60 -3.916 -2.571 -1.259 1.00 0.00 C ATOM 0 HA PRO A 60 -5.382 -5.474 -1.481 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.966 -5.112 0.880 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.128 -5.270 -0.651 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.819 -2.770 0.880 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.327 -3.179 0.056 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -4.175 -1.528 -1.075 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.167 -2.579 -2.051 1.00 0.00 H new ATOM 882 N LYS A 61 -7.107 -3.492 0.139 1.00 0.00 N ATOM 883 CA LYS A 61 -8.246 -3.343 1.038 1.00 0.00 C ATOM 884 C LYS A 61 -9.543 -3.743 0.343 1.00 0.00 C ATOM 885 O LYS A 61 -10.456 -4.280 0.972 1.00 0.00 O ATOM 886 CB LYS A 61 -8.345 -1.899 1.534 1.00 0.00 C ATOM 887 CG LYS A 61 -7.594 -1.648 2.831 1.00 0.00 C ATOM 888 CD LYS A 61 -8.128 -0.425 3.556 1.00 0.00 C ATOM 889 CE LYS A 61 -7.297 -0.100 4.788 1.00 0.00 C ATOM 890 NZ LYS A 61 -7.815 -0.786 6.004 1.00 0.00 N ATOM 0 H LYS A 61 -6.953 -2.696 -0.480 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.093 -4.004 1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.957 -1.232 0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.395 -1.644 1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.680 -2.522 3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.534 -1.512 2.618 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.127 0.430 2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.163 -0.598 3.850 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.262 -0.397 4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.296 0.978 4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.222 -0.539 6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.794 -0.484 6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.792 -1.815 5.858 1.00 0.00 H new ATOM 904 N CYS A 62 -9.619 -3.480 -0.957 1.00 0.00 N ATOM 905 CA CYS A 62 -10.804 -3.814 -1.738 1.00 0.00 C ATOM 906 C CYS A 62 -10.675 -5.203 -2.356 1.00 0.00 C ATOM 907 O CYS A 62 -11.662 -5.925 -2.498 1.00 0.00 O ATOM 908 CB CYS A 62 -11.025 -2.773 -2.837 1.00 0.00 C ATOM 909 SG CYS A 62 -11.220 -1.070 -2.221 1.00 0.00 S ATOM 0 H CYS A 62 -8.873 -3.036 -1.493 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.663 -3.813 -1.067 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -10.181 -2.804 -3.527 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.913 -3.045 -3.407 1.00 0.00 H new ATOM 914 N ARG A 63 -9.451 -5.571 -2.721 1.00 0.00 N ATOM 915 CA ARG A 63 -9.193 -6.873 -3.325 1.00 0.00 C ATOM 916 C ARG A 63 -9.201 -7.973 -2.268 1.00 0.00 C ATOM 917 O ARG A 63 -9.533 -9.122 -2.556 1.00 0.00 O ATOM 918 CB ARG A 63 -7.849 -6.862 -4.055 1.00 0.00 C ATOM 919 CG ARG A 63 -7.070 -8.160 -3.916 1.00 0.00 C ATOM 920 CD ARG A 63 -5.928 -8.235 -4.918 1.00 0.00 C ATOM 921 NE ARG A 63 -5.475 -9.607 -5.129 1.00 0.00 N ATOM 922 CZ ARG A 63 -4.595 -10.219 -4.345 1.00 0.00 C ATOM 923 NH1 ARG A 63 -4.077 -9.584 -3.302 1.00 0.00 N ATOM 924 NH2 ARG A 63 -4.231 -11.469 -4.602 1.00 0.00 N ATOM 0 H ARG A 63 -8.623 -4.986 -2.609 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.987 -7.077 -4.043 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.021 -6.663 -5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.243 -6.041 -3.671 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.673 -8.241 -2.904 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.741 -9.006 -4.064 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.251 -7.810 -5.868 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.095 -7.628 -4.564 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.855 -10.124 -5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.354 -8.623 -3.101 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.401 -10.056 -2.701 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.627 -11.961 -5.403 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.555 -11.938 -3.999 1.00 0.00 H new ATOM 938 N GLY A 64 -8.833 -7.612 -1.042 1.00 0.00 N ATOM 939 CA GLY A 64 -8.804 -8.580 0.039 1.00 0.00 C ATOM 940 C GLY A 64 -10.092 -8.595 0.838 1.00 0.00 C ATOM 941 O GLY A 64 -11.173 -8.784 0.281 1.00 0.00 O ATOM 0 H GLY A 64 -8.555 -6.667 -0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.623 -9.573 -0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.970 -8.353 0.704 1.00 0.00 H new ATOM 945 N ASP A 65 -9.976 -8.397 2.147 1.00 0.00 N ATOM 946 CA ASP A 65 -11.141 -8.390 3.024 1.00 0.00 C ATOM 947 C ASP A 65 -10.917 -7.465 4.217 1.00 0.00 C ATOM 948 O ASP A 65 -10.009 -7.681 5.020 1.00 0.00 O ATOM 949 CB ASP A 65 -11.448 -9.806 3.512 1.00 0.00 C ATOM 950 CG ASP A 65 -12.319 -10.577 2.540 1.00 0.00 C ATOM 951 OD1 ASP A 65 -13.543 -10.331 2.517 1.00 0.00 O ATOM 952 OD2 ASP A 65 -11.777 -11.427 1.803 1.00 0.00 O ATOM 0 H ASP A 65 -9.088 -8.239 2.623 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.992 -8.019 2.453 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.513 -10.345 3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.947 -9.754 4.480 1.00 0.00 H new ATOM 957 N SER A 66 -11.749 -6.434 4.325 1.00 0.00 N ATOM 958 CA SER A 66 -11.639 -5.474 5.417 1.00 0.00 C ATOM 959 C SER A 66 -12.385 -5.968 6.652 1.00 0.00 C ATOM 960 O SER A 66 -13.598 -6.168 6.620 1.00 0.00 O ATOM 961 CB SER A 66 -12.189 -4.113 4.985 1.00 0.00 C ATOM 962 OG SER A 66 -13.531 -4.224 4.541 1.00 0.00 O ATOM 0 H SER A 66 -12.507 -6.242 3.670 1.00 0.00 H new ATOM 0 HA SER A 66 -10.584 -5.368 5.670 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.135 -3.414 5.819 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.571 -3.704 4.186 1.00 0.00 H new ATOM 0 HG SER A 66 -13.961 -4.985 4.985 1.00 0.00 H new ATOM 968 N GLY A 67 -11.648 -6.162 7.742 1.00 0.00 N ATOM 969 CA GLY A 67 -12.255 -6.631 8.974 1.00 0.00 C ATOM 970 C GLY A 67 -11.403 -7.664 9.684 1.00 0.00 C ATOM 971 O GLY A 67 -11.730 -8.851 9.721 1.00 0.00 O ATOM 0 H GLY A 67 -10.642 -6.003 7.794 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -12.422 -5.783 9.639 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.232 -7.060 8.753 1.00 0.00 H new ATOM 975 N PRO A 68 -10.280 -7.214 10.263 1.00 0.00 N ATOM 976 CA PRO A 68 -9.354 -8.092 10.984 1.00 0.00 C ATOM 977 C PRO A 68 -9.942 -8.602 12.296 1.00 0.00 C ATOM 978 O PRO A 68 -9.428 -9.550 12.890 1.00 0.00 O ATOM 979 CB PRO A 68 -8.147 -7.190 11.255 1.00 0.00 C ATOM 980 CG PRO A 68 -8.700 -5.807 11.254 1.00 0.00 C ATOM 981 CD PRO A 68 -9.828 -5.813 10.258 1.00 0.00 C ATOM 0 HA PRO A 68 -9.114 -8.988 10.412 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.681 -7.429 12.211 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.382 -7.311 10.488 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.056 -5.528 12.246 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.936 -5.081 10.974 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.627 -5.132 10.552 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.492 -5.503 9.269 1.00 0.00 H new ATOM 989 N SER A 69 -11.023 -7.969 12.740 1.00 0.00 N ATOM 990 CA SER A 69 -11.679 -8.357 13.983 1.00 0.00 C ATOM 991 C SER A 69 -12.453 -9.659 13.805 1.00 0.00 C ATOM 992 O SER A 69 -13.619 -9.652 13.411 1.00 0.00 O ATOM 993 CB SER A 69 -12.623 -7.249 14.454 1.00 0.00 C ATOM 994 OG SER A 69 -11.942 -6.011 14.564 1.00 0.00 O ATOM 0 H SER A 69 -11.463 -7.185 12.258 1.00 0.00 H new ATOM 0 HA SER A 69 -10.909 -8.513 14.738 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.452 -7.151 13.753 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.052 -7.518 15.419 1.00 0.00 H new ATOM 0 HG SER A 69 -12.567 -5.319 14.865 1.00 0.00 H new ATOM 1000 N SER A 70 -11.796 -10.777 14.099 1.00 0.00 N ATOM 1001 CA SER A 70 -12.420 -12.088 13.968 1.00 0.00 C ATOM 1002 C SER A 70 -12.990 -12.554 15.304 1.00 0.00 C ATOM 1003 O SER A 70 -12.886 -13.727 15.661 1.00 0.00 O ATOM 1004 CB SER A 70 -11.406 -13.109 13.449 1.00 0.00 C ATOM 1005 OG SER A 70 -12.058 -14.240 12.898 1.00 0.00 O ATOM 0 H SER A 70 -10.831 -10.801 14.430 1.00 0.00 H new ATOM 0 HA SER A 70 -13.239 -12.004 13.253 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.773 -12.645 12.692 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.752 -13.423 14.263 1.00 0.00 H new ATOM 0 HG SER A 70 -12.674 -14.618 13.560 1.00 0.00 H new ATOM 1011 N GLY A 71 -13.593 -11.625 16.040 1.00 0.00 N ATOM 1012 CA GLY A 71 -14.171 -11.959 17.328 1.00 0.00 C ATOM 1013 C GLY A 71 -13.214 -12.738 18.209 1.00 0.00 C ATOM 1014 O GLY A 71 -12.607 -12.149 19.101 1.00 0.00 O ATOM 0 H GLY A 71 -13.691 -10.647 15.767 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.466 -11.042 17.839 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -15.078 -12.545 17.175 1.00 0.00 H new TER 1018 GLY A 71 HETATM 1019 ZN ZN A 201 2.554 4.186 2.907 1.00 0.00 ZN HETATM 1020 ZN ZN A 401 -9.637 0.454 -2.963 1.00 0.00 ZN